0 mol 18 unq 0 iso 0 dist 9.2978 4.84965 6.41856 8.25905 5.01478 5.03976 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 8.25905 7.04695 5.03976 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 9.05146 8.16494 9.56266 5.32981 5.77643 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 6.34542 10.1386 7.42431 12.5893 7.59143 9.02541 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 7.2443 8.94648 9.57352 8.94447 8.69934 6.32393 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.94541 9.35663 8.75736 11.8358 5.45435 6.77398 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 8.94541 9.35663 8.75736 14.1534 10.302 5.68207 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 8.94541 4.4033 6.76166 4.87879 5.9915 6.33375 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 8.94541 4.4033 6.76166 11.8358 5.45435 8.06229 numMergedOcc 0
9 mol 134 unq 4 iso 0 dist 7.30919 14.4662 8.75736 12.0335 5.45435 6.77398 numMergedOcc 0
10 mol 134 unq 5 iso 0 dist 7.30919 14.4662 8.75736 14.7064 10.302 5.68207 numMergedOcc 0
11 mol 134 unq 6 iso 0 dist 7.30919 12.021 6.76166 8.80672 5.9915 6.33375 numMergedOcc 0
12 mol 134 unq 7 iso 0 dist 7.30919 12.021 6.76166 12.0335 5.45435 8.06229 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 21.0066 12.8308 9.65224 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 5.85439 5.25267 8.71031 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 9.23836 11.5727 7.84536 15.2879 8.91474 7.85296 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 9.23836 8.10415 7.07723 15.2879 8.91474 8.2841 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 10.3728 6.20606 6.59305 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.97461 5.81253 5.99187 10.3728 10.4664 6.59305 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.94654 11.7816 9.93378 12.298 13.3539 6.59305 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 8.89487 5.81253 9.93378 10.3728 13.3539 6.59305 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 7.80612 4.72507 4.89168 11.8765 7.12868 9.85284 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 7.38758 8.01575 7.06108 14.3999 9.94943 7.2452 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 6.94723 5.45852 5.59626 11.1831 6.24406 7.10608 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 6.94723 5.45852 5.59626 12.5525 9.58484 7.22993 numMergedOcc 0
25 mol 280 unq 2 iso 0 dist 6.52188 4.78798 5.59626 6.78323 6.24406 7.10608 numMergedOcc 0
26 mol 280 unq 3 iso 0 dist 6.52188 4.78798 5.59626 10.4433 9.58484 7.22993 numMergedOcc 0
